MT from job 1251 (LKU-53)               
           1
    17.150000    0.000000    0.042875
     0.000000   17.150000    0.000000
     0.042875    0.000000   17.150000
   Si   C    O    H 
    69    59    88   164
Direct configuration=     1
   0.03980147  0.08641172  0.99526753
   0.26308591  0.08594097  0.38429647
   0.98402148  0.27556311  0.03991746
   0.31110570  0.24035765  0.29464405
   0.09920326  0.10576574  0.52516828
   0.28107735  0.10467476  0.78462170
   0.09555630  0.27223580  0.61882677
   0.26980426  0.26915048  0.69924292
   0.01773477  0.45994344  0.99139688
   0.25336974  0.41588550  0.35860884
   0.06791999  0.59658912  0.13004729
   0.24539441  0.55330048  0.21912276
   0.08621854  0.37587625  0.46286998
   0.28883967  0.39856892  0.84127291
   0.29610085  0.58170359  0.80810087
   0.08070640  0.77265041  0.00301069
   0.26193933  0.80319817  0.41133648
   0.09835593  0.92616426  0.12800830
   0.24107998  0.93186257  0.27120608
   0.08606567  0.85090450  0.46520221
   0.25849178  0.75928913  0.86232030
   0.09392957  0.94367174  0.62534374
   0.27101832  0.92491125  0.72160276
   0.40256413  0.12269152  0.91541519
   0.58211849  0.09306225  0.38134489
   0.41175712  0.30513703  0.17158309
   0.56843259  0.23665892  0.24935923
   0.42395221  0.08480115  0.49168889
   0.57590294  0.11900780  0.85268727
   0.43858851  0.25290260  0.58280600
   0.57168055  0.25515181  0.72530277
   0.42140136  0.40823344  0.01911106
   0.58241465  0.42835246  0.32995268
   0.40758375  0.57654472  0.11760492
   0.56815432  0.59300310  0.22674157
   0.44614086  0.39975455  0.46066838
   0.44546617  0.65149013  0.66009549
   0.59884775  0.66299411  0.75024283
   0.41920302  0.71065557  0.96840167
   0.59745414  0.77227640  0.38412750
   0.41499286  0.93108502  0.19422203
   0.58251726  0.93191144  0.27396340
   0.43570126  0.79539243  0.50255903
   0.59662265  0.80391713  0.86151800
   0.42912999  0.94103485  0.61837067
   0.55895601  0.96241837  0.75914079
   0.71946794  0.06726285  0.97486183
   0.93118743  0.07652900  0.43907390
   0.82052261  0.18978695  0.08671243
   0.89716030  0.17436283  0.27135919
   0.75309303  0.10491555  0.52272595
   0.90129991  0.00882594  0.90839909
   0.75956042  0.22557493  0.66682899
   0.92713700  0.29251545  0.71541072
   0.77357900  0.46773042  0.98924345
   0.99116324  0.32177885  0.32531284
   0.70768130  0.61546056  0.08964566
   0.97943976  0.60069186  0.30106921
   0.89185138  0.47641419  0.83926696
   0.72074432  0.70784912  0.64711992
   0.87059291  0.65701406  0.75436806
   0.73651934  0.79139555  0.98135333
   0.93514043  0.76226583  0.39645872
   0.69701835  0.94817240  0.11767316
   0.83734224  0.78226807  0.25128888
   0.76841009  0.77286768  0.49509156
   0.91348673  0.77437152  0.89066548
   0.79528531  0.91963339  0.62288966
   0.94387239  0.93015053  0.74279750
   0.07990725  0.03327444  0.09066830
   0.05296844  0.19933028  0.00087143
   0.23542412  0.31668560  0.31355530
   0.18816152  0.12518067  0.45905559
   0.33942979  0.29282585  0.61715309
   0.99413547  0.53169896  0.07315687
   0.16232694  0.53714719  0.14544982
   0.16505093  0.44135085  0.42383794
   0.99958251  0.48937505  0.53549359
   0.23273659  0.67389993  0.79055870
   0.37600307  0.59017299  0.72564961
   0.98862069  0.49605385  0.89078520
   0.08478768  0.70151594  0.09076963
   0.28139610  0.86337943  0.81639664
   0.18351573  0.89400703  0.66300440
   0.17793872  0.75700060  0.94751541
   0.61185648  0.33590861  0.27510324
   0.67210372  0.28914370  0.68406749
   0.49943626  0.17040883  0.90967341
   0.59246913  0.66814229  0.32472093
   0.33960677  0.42438510  0.43152499
   0.37962447  0.39371198  0.91176558
   0.40235894  0.71499062  0.57531642
   0.51462034  0.75111041  0.90683958
   0.92438806  0.08392813  0.32750142
   0.89203321  0.14842186  0.15957692
   0.85582298  0.13535575  0.49137504
   0.67990270  0.11764772  0.43289462
   0.74128757  0.00749700  0.57808398
   0.89835589  0.36937748  0.79758378
   0.79198843  0.02158832  0.90665208
   0.68635315  0.40762184  0.44870331
   0.85650748  0.54802606  0.76150171
   0.68781239  0.69596624  0.01530221
   0.90957862  0.83205328  0.31804898
   0.73761845  0.85411336  0.07484810
   0.95672778  0.83876725  0.80655024
   0.39721666  0.24286665  0.35869248
   0.20300712  0.12338978  0.85656400
   0.20072960  0.37291880  0.89929762
   0.27554515  0.57149270  0.91687102
   0.08111481  0.92219511  0.38380253
   0.41402505  0.39805669  0.22501391
   0.44658768  0.61110118  0.92534178
   0.43275000  0.92423931  0.09028993
   0.90815331  0.97511285  0.47086733
   0.76271687  0.27699434  0.10836021
   0.92795192  0.93309866  0.98142945
   0.77874789  0.15189636  0.74465076
   0.03283326  0.38430279  0.24718545
   0.88631362  0.54766881  0.28455807
   0.64472677  0.78550220  0.62862149
   0.88873372  0.75918500  0.15772571
   0.74964336  0.89022022  0.71742066
   0.25805423  0.69703643  0.39378995
   0.47513608  0.47872431  0.52849590
   0.77308970  0.99278322  0.18154541
   0.80242826  0.22018169  0.29861088
   0.66564740  0.40255065  0.89557234
   0.27253452  0.15303419  0.31572469
   0.33748288  0.24927621  0.20100587
   0.02126191  0.09910007  0.46936816
   0.10652710  0.03038388  0.58478344
   0.27891266  0.17583719  0.72051067
   0.08941138  0.18342062  0.58265021
   0.29083761  0.32748269  0.77312874
   0.17453584  0.28047209  0.67362437
   0.95228578  0.08153915  0.95149450
   0.98108397  0.36547162  0.00572662
   0.25251788  0.48240357  0.28598698
   0.32884059  0.56529183  0.17352243
   0.05627402  0.31244538  0.39634586
   0.10939612  0.33194244  0.54437782
   0.27931745  0.48324369  0.79255896
   0.00568787  0.42878956  0.47830801
   0.25046361  0.85464117  0.32764776
   0.09685111  0.86026545  0.05561930
   0.23868523  0.00792939  0.32932511
   0.32833576  0.93639777  0.22437158
   0.17599806  0.92764912  0.19746533
   0.18076262  0.82194916  0.46393131
   0.01447056  0.78567264  0.44873710
   0.06607011  0.88549992  0.55241376
   0.26744373  0.01874068  0.74465741
   0.34634072  0.91668128  0.65972062
   0.99291525  0.76740138  0.95315494
   0.56409866  0.16831113  0.32073555
   0.48980334  0.25041384  0.19470963
   0.50430904  0.07857492  0.43690109
   0.34660386  0.07210903  0.43301238
   0.42295813  0.01763583  0.56030171
   0.59402390  0.16733292  0.77178506
   0.42130885  0.16925264  0.53529479
   0.53541544  0.31438571  0.78512621
   0.51024235  0.23979875  0.64501118
   0.36643207  0.10461426  0.82789452
   0.40121703  0.33141565  0.07856432
   0.57449001  0.50685001  0.27287826
   0.41056373  0.49131874  0.06830384
   0.63695741  0.60298336  0.15719724
   0.48348147  0.58910040  0.18049510
   0.50552790  0.40697994  0.38393472
   0.45950109  0.31733541  0.51114625
   0.59127327  0.58589833  0.80643791
   0.63392002  0.73608183  0.80059842
   0.66144481  0.63878563  0.68001480
   0.51428366  0.69224932  0.71493389
   0.51644398  0.40399817  0.00332276
   0.40123687  0.65296117  0.06331957
   0.59960245  0.85210890  0.32485684
   0.59490265  0.01197595  0.32508211
   0.62384664  0.93463581  0.18584543
   0.48498710  0.92885849  0.25449994
   0.51546896  0.77969835  0.44243613
   0.35155373  0.81771336  0.45157581
   0.57131059  0.88018335  0.80711557
   0.45690369  0.87025358  0.55893944
   0.54562908  0.03079272  0.82517192
   0.49109697  0.95449793  0.69067295
   0.33865672  0.73775962  0.91163514
   0.67938555  0.01105239  0.04428042
   0.77189571  0.13333699  0.02859654
   0.96898052  0.23796665  0.28410834
   0.73720797  0.17743217  0.58533418
   0.01241138  0.29811099  0.66428335
   0.84719888  0.27597561  0.66153753
   0.65215228  0.10523503  0.91726376
   0.83308532  0.43447533  0.05702146
   0.72693469  0.53970390  0.03177112
   0.95895135  0.68073077  0.35143774
   0.02482233  0.61531472  0.21667947
   0.91050942  0.35771182  0.36344549
   0.65497683  0.45458369  0.38765079
   0.89170780  0.69303522  0.84204943
   0.94953820  0.67363224  0.70044453
   0.79718704  0.70233297  0.70818035
   0.82425993  0.48729276  0.90979590
   0.71222734  0.39837399  0.96513798
   0.85093501  0.75453457  0.44677591
   0.68505500  0.77772332  0.43736250
   0.75662742  0.69901823  0.55681225
   0.78907903  0.85165594  0.54974204
   0.92665690  0.99625523  0.81394768
   0.02866417  0.94699896  0.69740545
   0.88438839  0.93336019  0.66487653
   0.82898217  0.78814363  0.94194570
   0.67469860  0.82722910  0.91595422
   0.98712038  0.28023344  0.12617094
   0.09568221  0.05664943  0.93686217
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   0.01256164  0.46697526  0.59430402
   0.10265515  0.44537080  0.99398410
   0.93942661  0.51150149  0.53457551
   0.40793660  0.04716683  0.95926376
   0.34613168  0.17298595  0.95941470
   0.62538111  0.19970087  0.19468748
   0.48787577  0.58963370  0.61724928
   0.41137617  0.77920511  0.02423020
   0.62977324  0.98367597  0.71571415
   0.89714613  0.24084462  0.02722980
   0.94035352  0.22183052  0.76444040
   0.03542514  0.55658542  0.35090954
   0.77861204  0.62760186  0.13790895
   0.70917622  0.44661487  0.49425814
   0.73494133  0.37153169  0.42675779
   0.76811118  0.83374257  0.24021504
   0.03238290  0.90596559  0.18066506
   0.80556280  0.70935706  0.28640960
   0.05347999  0.05939767  0.14352101
   0.10936792  0.21252254  0.02937944
   0.19062851  0.28961935  0.35088957
   0.16395894  0.17528924  0.42604719
   0.35032515  0.35603117  0.62415530
   0.94711893  0.57056621  0.05243004
   0.14136858  0.47658929  0.15276723
   0.13107416  0.48397422  0.38922289
   0.17010569  0.66209389  0.80015004
   0.33925315  0.56044900  0.68103429
   0.03562067  0.47711908  0.85090937
   0.05023456  0.73421598  0.13426365
   0.34412723  0.86766103  0.83128657
   0.15866563  0.84323655  0.69416592
   0.18148102  0.69295638  0.95647534
   0.62755902  0.35585840  0.21559746
   0.66017001  0.32033995  0.62894899
   0.49365803  0.22787708  0.88027038
   0.65368725  0.64838252  0.33111931
   0.34261825  0.48880293  0.43806568
   0.39824502  0.33224665  0.90337345
   0.37539048  0.66819896  0.53972665
   0.54839638  0.69655098  0.91339841
   0.98095182  0.06369771  0.30405788
   0.88761111  0.08463316  0.15564674
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   0.72019993  0.10604983  0.38366272
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   0.99406784  0.56022573  0.89529516
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   0.20937149  0.86859767  0.60969705
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   0.79800323  0.23037840  0.36154024
   0.79807151  0.27742204  0.27012959
   0.75226805  0.18477623  0.28002008
   0.92257622  0.38980794  0.40946138
   0.64215200  0.36915805  0.47538054
   0.03940251  0.53806288  0.52209293
   0.94016790  0.69177725  0.64761924
   0.59032592  0.53485333  0.78190229
   0.53267084  0.37538800  0.95710653
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   0.62238276  0.44973411  0.90014170
   0.70249994  0.41326349  0.84394448
   0.63520179  0.34691652  0.88653385
Direct configuration=     2
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   0.63523298  0.34692807  0.88659209
Direct configuration=     3
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   0.79808254  0.27741704  0.27013262
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   0.03942084  0.53806947  0.52206755
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   0.70255631  0.41327121  0.84389599
   0.63521307  0.34692070  0.88655492
Direct configuration=     4
   0.03969404  0.08638692  0.99528973
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Direct configuration=     5
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   0.63522791  0.34692226  0.88659316
Direct configuration=     6
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   0.98398284  0.27557274  0.03999356
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Direct configuration=     7
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Direct configuration=     8
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Direct configuration=     9
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Direct configuration=    10
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Direct configuration=    11
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   0.26967850  0.26913906  0.69927337
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